CID 131668048

C25H34O6 — CID 131668048

IUPAC—
SMILESC=C1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2C[C@@H](C)[C@@]32OCOC23COCO3)[C@@]2(C)CCC(=O)C=C12
InChIInChI=1S/C25H34O6/c1-14-7-17-19-8-15(2)25(24(30-13-31-25)11-28-12-29-24)23(19,4)10-20(27)21(17)22(3)6-5-16(26)9-18(14)22/h9,15,17,19-21,27H,1,5-8,10-13H2,2-4H3/t15-,17+,19+,20+,21-,22+,23+,24?,25-/m1/s1
InChIKeyQGTKFCDKMOWQCJ-FUQKSPMYSA-N
MW430.54 g/mol
LogP3.34
Rot. Bonds

About CID 131668048

CID 131668048 (PubChem CID 131668048) has the molecular formula C25H34O6 and a molecular weight of 430.54 g/mol.

Molecular Properties

Compound NameCID 131668048
PubChem CID131668048
Molecular FormulaC25H34O6
Molecular Weight430.54 g/mol
Exact Mass430.24
IUPAC Name—
SMILESC=C1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2C[C@@H](C)[C@@]32OCOC23COCO3)[C@@]2(C)CCC(=O)C=C12
InChIInChI=1S/C25H34O6/c1-14-7-17-19-8-15(2)25(24(30-13-31-25)11-28-12-29-24)23(19,4)10-20(27)21(17)22(3)6-5-16(26)9-18(14)22/h9,15,17,19-21,27H,1,5-8,10-13H2,2-4H3/t15-,17+,19+,20+,21-,22+,23+,24?,25-/m1/s1
InChIKeyQGTKFCDKMOWQCJ-FUQKSPMYSA-N
XLogP3.34
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 131668048?
The IUPAC name of CID 131668048 (CID 131668048) is not available.
What is the SMILES notation for CID 131668048?
The canonical SMILES for CID 131668048 is C=C1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2C[C@@H](C)[C@@]32OCOC23COCO3)[C@@]2(C)CCC(=O)C=C12.
What is the InChIKey of CID 131668048?
The InChIKey is QGTKFCDKMOWQCJ-FUQKSPMYSA-N. The full InChI is InChI=1S/C25H34O6/c1-14-7-17-19-8-15(2)25(24(30-13-31-25)11-28-12-29-24)23(19,4)10-20(27)21(17)22(3)6-5-16(26)9-18(14)22/h9,15,17,19-21,27H,1,5-8,10-13H2,2-4H3/t15-,17+,19+,20+,21-,22+,23+,24?,25-/m1/s1.
What are the key properties of CID 131668048?
CID 131668048 has a molecular weight of 430.54 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131668048 is sourced from PubChem (CID 131668048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).